ergo
CI::Options Struct Reference

#include <ci.h>

Public Member Functions

 Options ()
 Initializes all the fields to sane values. More...
 

Public Attributes

int use_random_orbitals
 
int use_lowdin_orbitals
 
int no_of_core_electrons
 
int use_random_starting_guess
 
ergo_real convergence_threshold
 
ergo_real initial_step_length
 
int max_no_of_iterations
 
ergo_real shift
 
int use_energy_diff_limit
 
ergo_real energy_diff_limit
 

Constructor & Destructor Documentation

◆ Options()

CI::Options::Options ( )
inline

Initializes all the fields to sane values.

Member Data Documentation

◆ convergence_threshold

ergo_real CI::Options::convergence_threshold

◆ energy_diff_limit

ergo_real CI::Options::energy_diff_limit

Referenced by do_CI().

◆ initial_step_length

ergo_real CI::Options::initial_step_length

◆ max_no_of_iterations

int CI::Options::max_no_of_iterations

Referenced by do_CI().

◆ no_of_core_electrons

int CI::Options::no_of_core_electrons

◆ shift

ergo_real CI::Options::shift

Referenced by do_CI().

◆ use_energy_diff_limit

int CI::Options::use_energy_diff_limit

Referenced by do_CI().

◆ use_lowdin_orbitals

int CI::Options::use_lowdin_orbitals

Referenced by do_CI().

◆ use_random_orbitals

int CI::Options::use_random_orbitals

Referenced by do_CI().

◆ use_random_starting_guess

int CI::Options::use_random_starting_guess

Referenced by do_CI().


The documentation for this struct was generated from the following file: